1-methyl-N-[4-(trifluoromethylsulfonyl)phenyl]pyrazol-4-amine

C11H10F3N3O2S — CID 43543795

IUPAC1-methyl-N-[4-(trifluoromethylsulfonyl)phenyl]pyrazol-4-amine
SMILESCn1cc(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)cn1
InChIInChI=1S/C11H10F3N3O2S/c1-17-7-9(6-15-17)16-8-2-4-10(5-3-8)20(18,19)11(12,13)14/h2-7,16H,1H3
InChIKeyHIWXJLXQTJEKGE-UHFFFAOYSA-N
MW305.28 g/mol
LogP2.46
Rot. Bonds3

About 1-methyl-N-[4-(trifluoromethylsulfonyl)phenyl]pyrazol-4-amine

1-methyl-N-[4-(trifluoromethylsulfonyl)phenyl]pyrazol-4-amine (PubChem CID 43543795) has the molecular formula C11H10F3N3O2S and a molecular weight of 305.28 g/mol. Its IUPAC name is 1-methyl-N-[4-(trifluoromethylsulfonyl)phenyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-[4-(trifluoromethylsulfonyl)phenyl]pyrazol-4-amine
PubChem CID43543795
Molecular FormulaC11H10F3N3O2S
Molecular Weight305.28 g/mol
Exact Mass305.04
IUPAC Name1-methyl-N-[4-(trifluoromethylsulfonyl)phenyl]pyrazol-4-amine
SMILESCn1cc(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)cn1
InChIInChI=1S/C11H10F3N3O2S/c1-17-7-9(6-15-17)16-8-2-4-10(5-3-8)20(18,19)11(12,13)14/h2-7,16H,1H3
InChIKeyHIWXJLXQTJEKGE-UHFFFAOYSA-N
XLogP2.46
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(trifluoromethylsulfonyl)phenyl]pyrazol-4-amine?
The IUPAC name of 1-methyl-N-[4-(trifluoromethylsulfonyl)phenyl]pyrazol-4-amine (CID 43543795) is 1-methyl-N-[4-(trifluoromethylsulfonyl)phenyl]pyrazol-4-amine.
What is the SMILES notation for 1-methyl-N-[4-(trifluoromethylsulfonyl)phenyl]pyrazol-4-amine?
The canonical SMILES for 1-methyl-N-[4-(trifluoromethylsulfonyl)phenyl]pyrazol-4-amine is Cn1cc(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)cn1.
What is the InChIKey of 1-methyl-N-[4-(trifluoromethylsulfonyl)phenyl]pyrazol-4-amine?
The InChIKey is HIWXJLXQTJEKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2S/c1-17-7-9(6-15-17)16-8-2-4-10(5-3-8)20(18,19)11(12,13)14/h2-7,16H,1H3.
What are the key properties of 1-methyl-N-[4-(trifluoromethylsulfonyl)phenyl]pyrazol-4-amine?
1-methyl-N-[4-(trifluoromethylsulfonyl)phenyl]pyrazol-4-amine has a molecular weight of 305.28 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(trifluoromethylsulfonyl)phenyl]pyrazol-4-amine is sourced from PubChem (CID 43543795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).